Version2.2 2021-02-21T13:32:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c2cccc(c2)[N+](=O)[O-] C13981975 RHF 6-31G(d) (6D,7F) CC(C)(C)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c2cccc(c2)[N+](=O)[O-] C01[X(C18H20N4O5S2)] 141 C1 483 S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)NC(C)(C)C S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)NC(C)(C)C CC(C)(C)N[S](=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(c2)[N+]([O-])=O)cc1 InChIKey=STPKFLBDNNCIPT-UHFFFAOYSA-N InChI=1S/C18H20N4O5S2/c1-18(2,3)21-29(26,27)15-9-7-13(8-10-15)19-17(28)20-16(23)12-5-4-6-14(11-12)22(24)25/h4-11,21H,1-3H3,(H2,19,20,23,28) InChI=1/C18H20N4O5S2/c1-18(2,3)21-29(26,27)15-9-7-13(8-10-15)19-17(28)20-16(23)12-5-4-6-14(11-12)22(24)25/h4-11,21H,1-3H3,(H2,19,20,23,28)/f/h19-20H CC(C)(C)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c2cccc(c2)[N+](=O)[O-] C01[X(C18H20N4O5S2)] 141 C01 483 S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)NC(C)(C)C S=C(NC(=O)[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])N[C]1[CH][CH][C]([CH][CH]1)[S@@]([O])(=O)NC(C)(C)C CC(C)(C)N[S]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=S)NC(=O)[C]2[CH][CH][CH][C]([CH]2)N([O])[O] InChIKey=LPVJOHWXGAIFAT-UHFFFAOYSA-N InChI=1S/C18H20N4O5S2/c1-18(2,3)21-29(26,27)15-9-7-13(8-10-15)19-17(28)20-16(23)12-5-4-6-14(11-12)22(24)25/h4-11H,1-3H3,(H,21,26,27)(H2,19,20,23,28) InChI=1/C18H20N4O5S2/c1-18(2,3)21-29(26,27)15-9-7-13(8-10-15)19-17(28)20-16(23)12-5-4-6-14(11-12)22(24)25/h4-11H,1-3H3,(H,21,26,27)(H2,19,20,23,28)/f/h19-21H 2914.4516092827 -2080.2223909 1-A 26905.6731 114 369 483 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.21123 -91.90152 -20.61500 -20.61404 -20.57381 -20.55552 -20.55095 -15.86973 -15.64573 -15.64465 -15.59791 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.03874 0.06328 0.08212 0.11448 0.11667 0.15177 0.17994 0.19605 0.20813 0.22019 0.22508 0.24262 0.25034 0.25325 0.25975 0.27409 0.27512 0.28153 0.28481 0.28773 0.28963 0.29728 0.30370 0.30684 0.31078 0.31444 0.32354 0.33587 0.33931 0.34629 0.35313 0.35599 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406.0310 433.1260 440.8769 448.6227 457.1916 461.2731 479.9592 487.0200 497.3048 522.8620 526.8857 546.9033 562.8974 576.5820 578.0491 615.6384 658.4093 672.5357 689.1379 692.5970 724.4444 736.5955 763.3379 794.6053 817.7295 820.4474 826.0753 837.7826 869.5242 919.4196 933.3186 938.0500 947.2313 964.3121 967.5116 1007.7245 1019.2596 1041.8927 1060.6111 1081.1852 1086.3555 1091.5404 1092.3891 1095.7004 1108.6965 1117.0804 1136.1486 1158.8489 1162.5403 1187.8366 1200.9159 1205.0422 1206.7981 1237.9568 1257.8462 1261.3558 1292.8038 1307.2035 1318.1081 1343.4084 1354.1795 1365.2357 1373.5041 1376.6561 1383.1880 1438.6857 1445.6203 1452.4012 1458.4830 1557.0447 1559.0274 1559.4489 1584.7504 1592.9291 1605.4839 1624.8267 1634.1555 1638.4884 1643.2902 1651.9447 1656.1300 1660.0880 1670.3228 1678.7121 1686.2117 1716.4759 1781.7458 1789.7448 1803.5039 1810.7249 1874.3060 2024.3947 3203.3041 3209.5269 3222.6142 3260.5773 3270.5458 3280.8933 3291.4091 3310.3818 3322.8681 3373.1816 3379.2204 3399.0485 3402.3760 3423.7670 3424.9398 3441.6406 3449.4883 3797.6638 3835.4847 3856.4824 6.0804 8.1314 6.7892 5.9710 5.7118 5.3115 11.8595 3.4892 5.9636 6.9031 8.8149 5.2698 9.7688 5.9808 5.4813 5.6641 5.7427 9.6687 3.2768 1.2105 5.2922 1.4285 1.4075 1.7021 5.7487 2.7009 5.3024 4.5197 3.8006 3.0578 6.9233 3.1323 4.6348 3.1442 3.5736 1.5246 3.9748 1.9388 1.2057 2.3620 4.1114 4.5020 3.1518 6.8379 6.0373 5.1453 6.0737 7.8224 6.8525 6.9463 3.0998 5.3570 6.8446 3.2602 3.5473 4.1714 6.2876 7.9085 2.1741 2.1098 1.3186 2.9818 6.8872 2.3142 1.7008 1.6387 5.2822 1.1971 1.5007 3.1483 2.9404 1.4923 1.6837 1.3821 2.9005 1.3577 1.3838 1.4055 2.8215 2.4705 1.6804 2.6304 2.6860 2.5376 4.3903 3.4444 1.1934 3.1448 1.9244 2.2103 3.5178 2.8599 2.5621 2.7980 1.6955 2.2140 7.7584 1.6274 1.2608 1.5908 1.8505 1.2585 3.0984 1.2679 1.0486 1.0490 1.0514 5.2781 1.0651 3.1391 1.0949 1.0571 1.9885 1.9831 1.7089 5.6769 4.4999 6.0511 5.2360 11.8096 11.3013 1.0393 1.0395 1.0390 1.1024 1.1002 1.1036 1.1036 1.1020 1.0993 1.0924 1.0902 1.0954 1.0911 1.0943 1.0959 1.0949 1.0935 1.0761 1.0772 1.0775 0.0005 0.0010 0.0010 0.0034 0.0052 0.0056 0.0169 0.0058 0.0169 0.0278 0.0629 0.0576 0.1396 0.0981 0.0996 0.1373 0.1462 0.2703 0.1141 0.0458 0.2322 0.0756 0.0835 0.1031 0.3653 0.1824 0.3871 0.3863 0.3565 0.2970 0.7652 0.3587 0.5496 0.3872 0.4480 0.2069 0.5555 0.2825 0.1942 0.3863 0.7245 0.8404 0.6174 1.3462 1.3482 1.3142 1.6186 2.1888 1.9367 2.1479 0.9909 1.8391 2.5463 1.2844 1.4069 1.6772 2.6001 3.5230 1.0828 1.0828 0.6836 1.5763 3.7733 1.2763 1.0176 1.0030 3.3784 0.7934 1.0336 2.1891 2.0641 1.0492 1.1910 1.0010 2.1325 1.0326 1.0949 1.1192 2.3456 2.0992 1.4377 2.2570 2.4253 2.3655 4.1154 3.3918 1.2015 3.2192 2.0462 2.3881 3.8631 3.1788 2.8609 3.1540 2.0676 2.7261 9.6426 2.0396 1.8009 2.2782 2.6514 1.8622 4.6321 1.9255 1.6311 1.6505 1.6630 8.3976 1.7125 5.0727 1.7778 1.7376 3.3016 3.3222 2.9665 10.6183 8.4926 11.5963 10.1147 24.4436 27.2879 6.2830 6.3087 6.3572 6.9050 6.9337 6.9993 7.0444 7.1154 7.1516 7.3231 7.3347 7.4563 7.4421 7.5576 7.5738 7.6410 7.6660 9.1442 9.3362 9.4416 0.4702 2.4641 0.2692 0.6271 0.7265 1.4922 0.7308 1.2097 2.9725 0.2291 0.4693 3.6002 2.2171 2.7680 3.8967 0.7201 1.8030 1.1056 0.1176 0.1148 4.1123 0.2617 1.5203 0.7046 8.2291 3.6346 1.9101 17.1361 15.5004 2.1945 2.5710 9.6452 1.4146 2.3986 8.1226 117.8750 1.2529 61.9849 163.1560 7.7854 12.9810 10.3400 3.3866 2.8961 7.9265 94.2008 17.6797 229.7759 11.2127 34.8570 7.1035 41.0369 13.8760 124.1121 6.7436 9.9964 56.5632 12.5921 3.9805 9.9565 1.5680 172.9238 8.7095 22.4574 0.1762 17.7184 16.7055 0.4262 6.6824 233.6034 5.6141 8.4622 3.8794 1.5364 8.2333 0.2567 0.5757 7.7427 47.5478 37.8448 9.5922 63.2285 163.6030 16.9150 217.2152 91.7171 4.3081 470.4524 9.0976 114.8267 259.1321 176.1586 22.3680 12.5844 112.8989 112.6470 387.9162 52.5847 15.5026 50.3389 25.2305 42.9126 32.6380 43.3293 1.0814 0.1426 3.9087 367.2223 3.6359 50.8682 13.7579 7.4660 5.4330 963.4922 108.8172 53.9091 31.7232 45.7079 52.3261 395.9641 265.6312 14.5218 50.7801 10.7281 7.5628 57.6976 18.0951 70.8103 12.6723 14.4061 10.8936 7.5688 8.4950 2.0306 0.1745 3.6669 2.4250 11.4209 53.9192 35.1606 41.1884 1.5073 1.5537 0.8864 5.9469 1.4129 5.9903 0.3027 1.0193 3.2935 0.7348 0.2747 2.5562 1.5093 2.0121 1.4765 1.4372 1.8642 2.5447 0.5029 0.1423 2.1718 0.3193 0.8207 0.6020 2.4091 1.6139 1.5610 2.3875 1.7631 1.0902 2.7180 1.1594 1.6911 1.9084 0.9528 5.4066 1.1071 0.8554 5.1257 1.5264 2.7154 0.7637 3.5835 1.8788 1.8724 3.9842 9.2942 1.7926 6.2234 6.7976 0.5920 1.0800 16.1523 1.9569 12.0256 6.1819 9.0112 5.2131 1.0647 0.6890 1.4685 4.6804 10.8013 6.1227 9.5971 6.4111 4.5423 0.1360 1.7732 4.4852 27.5903 3.3036 6.4931 0.2772 1.8829 0.2010 5.2915 5.1636 3.6190 0.9359 2.3443 6.3361 5.0695 8.4327 33.9559 4.9051 9.4821 17.8593 1.6316 8.3593 43.1068 25.9821 2.5318 4.0949 1.1288 3.2337 1.9411 0.9648 0.9888 2.6571 4.3973 0.4236 1.6759 6.0076 6.1368 18.4288 31.0212 61.4968 14.1051 27.0502 4.8593 2.1443 3.8871 47.8867 3.9426 19.4957 2.5131 59.7610 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20.86 23.14 44.77 56.38 60.63 70.76 76.31 99.81 118.93 158.40 195.98 224.06 240.05 252.63 291.78 299.09 313.40 349.70 364.66 392.64 431.30 456.66 461.43 472.50 487.09 506.45 547.98 574.05 584.19 623.17 634.32 645.47 657.80 663.67 690.55 700.71 715.51 752.28 758.07 786.87 809.88 829.57 831.68 885.77 947.30 967.63 991.52 996.49 1042.31 1059.80 1098.27 1143.26 1176.53 1180.44 1188.54 1205.38 1251.05 1322.84 1342.84 1349.64 1362.85 1387.43 1392.03 1449.89 1466.49 1499.05 1525.98 1555.58 1563.02 1570.48 1571.70 1576.47 1595.17 1607.23 1634.66 1667.33 1672.64 1709.03 1727.85 1733.79 1736.31 1781.14 1809.76 1814.81 1860.06 1880.77 1896.46 1932.87 1948.36 1964.27 1976.17 1980.70 1990.10 2069.95 2079.93 2089.68 2098.43 2240.24 2243.09 2243.70 2280.10 2291.87 2309.93 2337.76 2351.19 2357.42 2364.33 2376.78 2382.80 2388.50 2403.22 2415.29 2426.08 2469.63 2563.53 2575.04 2594.84 2605.23 2696.71 2912.65 4608.84 4617.79 4636.62 4691.24 4705.59 4720.47 4735.60 4762.90 4780.87 4853.26 4861.94 4890.47 4895.26 4926.04 4927.72 4951.75 4963.04 5463.99 5518.41 5548.62 0.404576 0.430967 0.431911 0.342511 -2079.817815 -2079.791424 -2079.790480 -2079.879880 2.998491D-04 MUNgauss RevisionA2.1 retrievium 21-Feb-2021 DUDE CC(C)(C)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c2cccc(c2)[N+](=O)[O-] C13981975 RHF 6-31G(d) (6D,10F) C1 436.087514 |X|Y|Z| 40.786831 29.233379 156.164624 57.103213 16 6 7 14 2 |36.858105| |12.420765|36.858105| |7.553486|12.449959|36.858105| |7.588555|12.430635|7.625707|36.858105| |7.637056|12.829759|7.693083|7.969963|53.358707| |5.589556|6.821046|5.867304|4.772767|15.807399|388.023441| |4.449134|4.996322|4.173005|4.007380|10.673752|94.598443|73.516695| |5.972038|6.177926|5.855491|4.184940|10.201390|94.563333|13.627088|73.516695| |4.048224|5.168065|5.423849|4.055176|9.586957|76.460319|13.009412|13.133745|36.858105| |3.438368|4.430313|4.499166|3.870330|8.073646|49.429909|10.865052|8.773514|13.700621|36.858105| |2.830676|3.513811|3.752684|3.199853|5.765636|33.661767|7.658162|6.808776|7.950977|13.836184|36.858105| |2.654274|3.194217|3.587128|2.847968|4.968286|29.904971|6.588748|6.599325|6.905280|7.961236|13.689044|36.858105| |2.902568|3.434285|3.994421|2.915536|5.260866|33.680021|6.991431|7.951284|7.974542|6.880552|7.919184|13.780738|36.858105| |3.580197|4.289185|4.957484|3.404820|6.857658|49.590635|9.175285|11.786837|13.805705|7.915381|6.850292|7.935290|13.730884|36.858105| |2.245052|2.633844|2.951799|2.423909|3.944720|22.780565|5.183846|5.210579|4.562913|5.150928|7.783603|13.430477|7.915659|5.171412|53.358707| |1.975465|2.274430|2.470934|2.130186|3.419352|19.639949|4.659236|4.488855|3.695747|4.242295|6.015843|7.649686|5.367127|3.983064|19.089489|36.858105| |1.907440|2.174043|2.279524|2.043093|3.351296|19.531211|4.853194|4.383507|3.565589|4.201230|5.629133|5.973591|4.478801|3.640640|9.702060|11.621548|388.023441| |1.780284|2.025980|2.214356|1.923663|2.968141|16.646179|3.939052|3.882452|2.989443|3.323497|4.351655|5.254392|4.166479|3.231812|11.542763|13.709208|50.522767|53.358707| |1.583167|1.770688|1.911788|1.688791|2.580543|14.464052|3.475515|3.413366|2.502084|2.727819|3.376817|3.893301|3.309897|2.686833|7.304829|7.621903|41.662459|18.621070|36.858105| |1.529059|1.693289|1.810679|1.605083|2.483582|14.109244|3.431991|3.346706|2.412443|2.599546|3.147647|3.599954|3.148297|2.594119|6.348779|6.497373|42.201364|11.386241|16.085456|73.516695| |1.461515|1.626759|1.757771|1.571690|2.334232|12.825383|3.074946|3.044387|2.166043|2.345481|2.821111|3.152610|2.752460|2.302259|5.586355|5.066862|29.384814|10.674832|12.686324|14.396149|36.858105| |1.467265|1.643892|1.777020|1.610092|2.342922|12.634036|3.019745|2.977996|2.123345|2.326701|2.793017|3.033691|2.618944|2.220717|5.269532|4.540100|26.416391|8.910576|7.494356|9.492321|13.710958|36.858105| |1.350444|1.500433|1.616882|1.481064|2.115873|11.297933|2.704535|2.681582|1.858740|2.013313|2.349364|2.512670|2.229189|1.934511|4.162006|3.417445|20.847180|6.067035|5.001576|7.161249|7.898465|13.738513|36.858105| |1.253652|1.378095|1.481545|1.353992|1.938282|10.409751|2.499517|2.494856|1.693114|1.807308|2.076321|2.234112|2.027991|1.773635|3.637489|2.969772|18.567081|5.131269|4.443542|6.792027|6.836099|7.944686|13.790672|36.858105| |1.251488|1.369734|1.472304|1.332637|1.936094|10.531313|2.534204|2.536815|1.717499|1.819637|2.092679|2.285968|2.092383|1.817505|3.748552|3.115358|19.579769|5.439061|5.097119|8.103551|8.002276|6.956222|8.009256|13.753663|36.858105| |1.339968|1.472816|1.585994|1.421023|2.100574|11.561375|2.782239|2.777224|1.914306|2.035013|2.379416|2.646208|2.395718|2.042428|4.472336|3.871182|23.875268|7.141390|7.717739|12.011697|13.714176|7.929998|6.842870|7.868363|13.820357|36.858105| |1.156234|1.253264|1.342082|1.217684|1.765060|9.614727|2.321031|2.334741|1.546006|1.619079|1.829812|1.990655|1.859126|1.637632|3.177810|2.590283|16.732790|4.293783|3.878953|6.622100|5.128528|4.537350|5.133902|7.779373|13.048422|7.793291|53.358707| |1.096945|1.185678|1.266947|1.158416|1.661346|8.983327|2.169620|2.183429|1.431359|1.497255|1.676759|1.804941|1.692569|1.507195|2.837873|2.276368|14.818942|3.692753|3.195779|5.422245|4.095989|3.917293|4.692032|7.106965|8.386622|5.433711|21.724223|73.516695| |1.147174|1.237970|1.324017|1.195326|1.748229|9.602015|2.323079|2.342646|1.541394|1.603035|1.804714|1.976129|1.863904|1.642246|3.138217|2.563788|16.758057|4.180909|3.822696|6.865033|4.681377|3.913313|4.097444|5.425700|8.383376|7.102044|21.759564|16.007382|73.516695| |17.622526|8.766506|6.863840|5.502948|9.295178|42.991412|8.296439|13.497376|4.227308|3.430880|2.831049|2.712167|3.053383|3.862065|3.105667|2.002729|13.757384|2.448118|1.603018|2.768192|1.471406|1.464607|1.344687|1.253871|1.259537|1.353694|1.588012|1.962523|2.067071|0.500000| |17.539079|8.783000|5.490917|6.937417|9.500183|36.606456|8.007870|9.235092|3.662723|3.215361|2.645221|2.444183|2.621910|3.181294|2.836340|1.862666|12.994930|2.285436|1.503866|2.593728|1.389927|1.395744|1.287744|1.197306|1.194963|1.277274|1.506028|1.869076|1.952415|0.301191|0.500000| |17.546140|8.808497|6.879590|6.930912|7.560160|30.693526|6.322049|8.283777|3.426493|2.986102|2.544322|2.422016|2.636039|3.146454|2.846703|1.845689|12.559777|2.294741|1.505986|2.578033|1.403158|1.414382|1.310736|1.219284|1.213368|1.291535|1.529849|1.902553|1.978973|0.300678|0.301530|0.500000| |6.889064|8.873205|17.562665|7.027750|7.611852|31.588693|6.060594|8.162252|4.164754|3.624452|3.170333|3.085260|3.389334|3.978076|3.593945|2.239881|14.622438|2.789282|1.786813|3.002215|1.665188|1.692613|1.556387|1.430913|1.415969|1.512384|1.764138|2.186215|2.268170|0.169001|0.140945|0.205953|0.500000| |5.489120|8.787221|17.568970|6.942885|9.622276|39.540071|7.217082|9.053883|5.975446|5.245942|4.440480|4.179030|4.505144|5.378273|4.614983|2.776062|17.885987|3.365107|2.097116|3.490479|1.923593|1.959283|1.769049|1.604243|1.586838|1.714872|1.950948|2.400076|2.502537|0.140461|0.122855|0.140416|0.301156|0.500000| |6.899633|8.749852|17.606241|5.510455|9.250344|45.008221|7.655844|12.944954|5.863639|4.472526|3.755880|3.746039|4.440385|5.822082|4.148620|2.530332|16.546164|3.071140|1.951518|3.308188|1.779739|1.777397|1.611701|1.486013|1.489330|1.612936|1.853635|2.277087|2.402082|0.205490|0.140526|0.170931|0.302406|0.300169|0.500000| |6.903793|8.756589|5.511382|17.533432|9.832124|31.851409|7.184252|6.888700|3.667452|3.566003|2.944169|2.595413|2.631570|3.054330|3.031107|1.992969|13.851338|2.449854|1.595127|2.712510|1.485332|1.519124|1.401476|1.285305|1.266231|1.348131|1.580118|1.966303|2.028469|0.140927|0.207655|0.170818|0.142280|0.141440|0.122689|0.500000| |5.502805|8.780925|6.981043|17.574137|9.859179|32.537221|6.910896|6.859805|4.244358|4.291426|3.578934|3.105093|3.083099|3.513460|3.594468|2.309560|15.650986|2.831714|1.808412|3.030364|1.683796|1.739301|1.593461|1.443985|1.413736|1.508892|1.746095|2.167895|2.229165|0.122858|0.141259|0.141282|0.174192|0.209413|0.141444|0.300836|0.500000| |6.940316|8.813850|6.924764|17.566235|7.733289|27.743474|5.896152|6.472383|3.429405|3.258243|2.804263|2.566764|2.644312|3.022589|3.041021|1.970566|13.318421|2.459192|1.596426|2.692777|1.500298|1.541839|1.429986|1.311557|1.287250|1.363944|1.606639|2.004072|2.057059|0.141329|0.171884|0.208640|0.210422|0.170186|0.141499|0.302082|0.300422|0.500000| |6.782989|9.076819|5.657619|7.460999|25.904886|62.583445|14.419727|10.691476|5.624839|5.184590|3.805209|3.234287|3.331662|4.152474|3.579803|2.336726|16.637094|2.773922|1.790971|3.079511|1.626067|1.634708|1.482720|1.360775|1.357651|1.468256|1.689347|2.081839|2.185225|0.164137|0.200300|0.140459|0.126128|0.147616|0.140741|0.223375|0.186146|0.147969|0.500000| |3.477456|4.508221|4.238773|4.136298|8.637586|47.164450|11.635629|8.042026|8.898114|17.749853|8.959005|5.657446|4.958482|5.641133|5.674379|3.649847|26.749652|4.017885|2.480205|4.217830|2.168837|2.175046|1.903641|1.709472|1.709660|1.893013|2.078651|2.526054|2.680252|0.093848|0.093037|0.083304|0.096236|0.134343|0.112394|0.109339|0.129498|0.094331|0.165923|0.500000| |2.545621|3.120102|3.259587|2.967695|5.020749|27.817362|6.640976|5.704654|5.652412|8.946445|17.778273|8.903221|5.644415|4.944934|9.681384|6.288483|44.128603|6.243547|3.550026|5.804746|2.980442|3.006044|2.506192|2.182174|2.177873|2.473189|2.566862|3.075244|3.281134|0.069775|0.067090|0.064311|0.078597|0.106252|0.088620|0.077034|0.093422|0.072830|0.095377|0.215699|0.500000| |2.637871|3.019521|3.543607|2.588423|4.451810|27.832286|5.904198|6.977766|5.664074|4.956118|5.636414|8.925758|17.717288|8.917824|9.905812|5.139427|29.454878|5.746548|3.415563|5.809339|2.840673|2.653119|2.264381|2.084808|2.176491|2.505305|2.645309|3.129697|3.489135|0.077757|0.066189|0.067742|0.086457|0.108057|0.110898|0.065156|0.075099|0.066602|0.079470|0.107622|0.124130|0.500000| |3.746529|4.248908|4.975609|3.276190|6.462962|47.373697|8.632873|13.838869|8.945849|5.641161|4.944195|5.644442|8.893527|17.768163|5.703550|3.367581|22.074101|3.867295|2.427373|4.207297|2.109877|2.027639|1.789838|1.660136|1.706967|1.904244|2.117082|2.553487|2.785950|0.117328|0.091085|0.091734|0.112817|0.139292|0.175884|0.081811|0.090856|0.082283|0.109013|0.124209|0.107455|0.214480|0.500000| |2.193924|2.550527|2.926030|2.343208|3.713999|21.204166|4.747720|4.999958|4.103538|4.358257|5.899824|9.329311|7.375135|4.849958|26.005205|9.518595|38.550806|11.084598|5.313065|8.028559|4.229306|3.977472|3.167456|2.784818|2.875994|3.420609|3.315780|3.860955|4.271796|0.062137|0.056120|0.057415|0.073840|0.093011|0.084636|0.059361|0.070443|0.060846|0.068390|0.099865|0.149107|0.216199|0.113985|0.500000| |1.805351|2.065169|2.288462|1.973200|2.980779|16.433339|3.833240|3.848795|2.940957|3.248733|4.211292|5.075520|4.089543|3.186650|10.962694|9.372131|38.623821|26.032165|9.346090|10.925473|7.566826|7.248263|4.890789|3.982616|4.054281|5.072187|4.304275|4.899470|5.356477|0.050427|0.047040|0.047804|0.059284|0.071628|0.064382|0.050890|0.059594|0.051812|0.056544|0.080256|0.122494|0.115721|0.078155|0.244267|0.500000| |1.563893|1.771854|1.915882|1.744892|2.535288|13.573635|3.237276|3.162438|2.306749|2.577067|3.151879|3.368765|2.822365|2.384880|5.913427|5.081434|28.895821|9.751718|6.878392|8.739838|8.891896|17.724274|8.953750|5.661614|4.996107|5.638755|4.917445|5.726655|5.717025|0.043145|0.041293|0.041768|0.050468|0.059324|0.052830|0.045614|0.052867|0.046211|0.049081|0.067008|0.096451|0.077872|0.059705|0.121216|0.232580|0.500000| |1.340371|1.491973|1.604656|1.487075|2.093062|11.046068|2.642800|2.614104|1.804138|1.961086|2.269028|2.384957|2.116865|1.859136|3.866893|3.097423|19.130625|5.254364|4.073904|5.985038|5.630944|8.913481|17.742170|8.942241|5.676929|4.938428|5.665958|7.174987|6.049006|0.036874|0.035545|0.036255|0.043111|0.048858|0.044092|0.039101|0.044607|0.040014|0.040836|0.051945|0.067613|0.059170|0.047796|0.081322|0.119112|0.216235|0.500000| 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